2-[[4-(4-oxidanylbutyl)phenoxy]methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-[[4-(4-oxidanylbutyl)phenoxy]methyl]thiophene-3-carboxylic acid Openeye Name: 2-[[4-(4-hydroxybutyl)phenoxy]methyl]thiophene-3-carboxylic acid CAS Name: 2-[[4-(4-hydroxybutyl)phenoxy]methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-[[4-(4-hydroxybutyl)phenoxy]methyl]thiophene-3-carboxylic acid Traditional Name: 2-[[4-(4-hydroxybutyl)phenoxy]methyl]-3-thenoic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCO)OCC2=C(C=CS2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCO)OCC2=C(C=CS2)C(=O)O

InChI

InChI=1S/C16H18O4S/c17-9-2-1-3-12-4-6-13(7-5-12)20-11-15-14(16(18)19)8-10-21-15/h4-8,10,17H,1-3,9,11H2,(H,18,19)